naa a22 4500 510767303 CHVBK 20180411083201.0 cr unu---uuuuu 180411e20130201xx s 000 0 eng 10.1007/s12043-012-0466-3 doi (NATIONALLICENCE)springer-10.1007/s12043-012-0466-3 A tentative model for estimating the compressibility of rock-salt AgCl x Br 1 −   x alloys [Elektronische Daten] [VASSILIKI KATSIKA-TSIGOURAKOU, EFTHIMIOS SKORDAS] Ab initio detailed calculations of the elastic properties of AgCl x Br1 − x alloys were recently made using density-functional perturbation theory and by employing the virtual crystal approximation or by means of the full potential linearized augmented plane wave method. Here, we suggest a simple theoretical model that enables estimation of isothermal compressibility of these alloys in terms of the elastic data of end-members alone. The calculated values are in satisfactory agreement with the experimental ones. The present model makes use of an early suggestion that interconnects Gibbs energy for the formation and/or migration of defects in solids with bulk properties. Indian Academy of Sciences, 2013 Compressibility nationallicence point defects nationallicence mixed crystals nationallicence KATSIKA-TSIGOURAKOU VASSILIKI Department of Solid State Physics, Faculty of Physics, University of Athens, 157 84, Panepistimiopolis, Zografos, Greece aut SKORDAS EFTHIMIOS Department of Solid State Physics, Faculty of Physics, University of Athens, 157 84, Panepistimiopolis, Zografos, Greece aut Pramana Springer-Verlag 80/2(2013-02-01), 307-313 0304-4289 80:2<307 2013 80 12043 https://doi.org/10.1007/s12043-012-0466-3 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12043-012-0466-3 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- KATSIKA-TSIGOURAKOU VASSILIKI Department of Solid State Physics, Faculty of Physics, University of Athens, 157 84, Panepistimiopolis, Zografos, Greece aut NATIONALLICENCE 700 1- SKORDAS EFTHIMIOS Department of Solid State Physics, Faculty of Physics, University of Athens, 157 84, Panepistimiopolis, Zografos, Greece aut NATIONALLICENCE 773 0- Pramana Springer-Verlag 80/2(2013-02-01), 307-313 0304-4289 80:2<307 2013 80 12043 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer